#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f4f s VAL 8 N 0.00 1.53 -0.29 -0.18 1.01 -1.26 -5.10 120.40 116.11 3f4f s VAL 8 Ca 0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 3f4f s VAL 8 Cb 0.00 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 35.04 3f4f s VAL 8 CO 0.00 0.44 0.04 -0.22 0.00 0.00 0.00 175.10 175.36 3f4f s LEU 9 N 0.60 3.74 -0.23 3.92 2.96 -1.26 -3.73 118.68 124.68 3f4f s LEU 9 Ca -0.15 -0.87 -0.19 0.00 -0.22 0.00 0.00 54.13 52.70 3f4f s LEU 9 Cb -0.16 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 3f4f s LEU 9 CO 0.05 -0.20 0.55 -0.54 -1.32 0.00 0.00 176.35 174.88 3f4f s LYS 10 N 1.41 4.14 -0.13 1.98 1.02 -0.96 -4.97 119.74 122.23 3f4f s LYS 10 Ca 0.01 0.42 -0.00 0.00 0.02 0.00 0.00 55.97 56.42 3f4f s LYS 10 Cb -0.18 -3.61 -0.01 0.00 -0.52 0.00 0.00 37.83 33.51 3f4f s LYS 10 CO 0.00 -0.27 -0.13 0.42 -0.92 0.00 0.00 175.35 174.45 3f4f s ILE 11 N 2.03 3.03 -0.19 2.17 -1.09 -1.26 -1.46 121.20 124.42 3f4f s ILE 11 Ca 0.24 -0.67 -0.06 0.00 -2.23 0.00 0.00 60.65 57.94 3f4f s ILE 11 Cb -0.16 -2.27 -0.03 0.00 -1.58 0.00 0.00 42.46 38.42 3f4f s ILE 11 CO 0.09 0.52 0.02 -1.58 -1.23 0.00 0.00 174.94 172.76 3f4f s GLN 12 N 0.39 3.71 -0.36 2.79 0.74 0.78 -4.98 119.66 122.73 3f4f s GLN 12 Ca -0.10 -0.48 -0.15 0.00 0.05 0.00 0.00 55.36 54.67 3f4f s GLN 12 Cb -0.16 -3.11 -0.01 0.00 1.10 0.00 0.00 33.01 30.84 3f4f s GLN 12 CO 0.05 0.08 0.37 -0.51 -0.55 0.00 0.00 175.29 174.74 3f4f s LEU 13 N 0.83 4.52 0.00 3.68 1.43 -1.26 -1.60 118.68 126.28 3f4f s LEU 13 Ca 0.01 -0.32 0.25 0.00 -1.03 0.00 0.00 54.13 53.05 3f4f s LEU 13 Cb -0.14 -2.34 0.50 0.00 0.03 0.00 0.00 46.19 44.24 3f4f s LEU 13 CO 0.02 -0.38 1.40 0.54 0.23 0.00 0.00 176.35 178.17 3f4f n ARG 14 N 5.41 0.69 -3.83 1.70 1.74 0.57 -4.96 116.66 117.98 3f4f n ARG 14 Ca -0.09 -0.46 -0.07 0.00 -0.77 0.00 0.00 57.85 56.46 3f4f n ARG 14 Cb 0.49 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.44 3f4f n ARG 14 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3f4f s SER 15 N -2.62 -0.14 0.35 0.55 1.04 -1.26 -5.02 113.70 106.60 3f4f s SER 15 Ca 0.20 -0.75 0.26 0.00 0.48 0.00 0.00 55.95 56.13 3f4f s SER 15 Cb 0.18 0.71 1.24 0.00 0.10 0.00 0.00 66.02 68.26 3f4f s SER 15 CO 0.59 -1.36 1.78 0.00 0.98 0.00 0.00 173.24 175.23 3f4f h ALA 16 N 2.00 1.00 -0.01 5.32 0.00 -1.96 -2.93 119.26 122.68 3f4f h ALA 16 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3f4f h ALA 16 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3f4f h ALA 16 CO 0.30 0.00 -0.20 0.43 0.00 0.00 0.00 179.25 179.78 3f4f n SER 17 N -2.41 1.04 -4.79 0.00 7.64 -1.26 -4.91 113.62 108.92 3f4f n SER 17 Ca -0.00 -0.95 -0.35 0.00 1.01 0.00 0.00 58.87 58.57 3f4f n SER 17 Cb 0.14 0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.37 3f4f n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f4f s ALA 18 N -2.42 3.09 -0.07 -0.43 0.00 -1.11 -4.34 121.76 116.47 3f4f s ALA 18 Ca 0.27 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.81 3f4f s ALA 18 Cb 0.20 -3.20 -0.00 0.00 0.00 0.00 0.00 23.12 20.11 3f4f s ALA 18 CO 0.49 0.01 -0.22 0.99 0.00 0.00 0.00 175.76 177.03 3f4f s THR 19 N -1.84 1.83 0.17 0.00 2.01 -1.26 -4.99 115.64 111.56 3f4f s THR 19 Ca 0.57 -0.91 -0.32 0.00 0.31 0.00 0.00 61.69 61.35 3f4f s THR 19 Cb -0.16 -1.58 -0.12 0.00 0.01 0.00 0.00 72.50 70.65 3f4f s THR 19 CO 0.21 0.51 1.76 0.52 -0.69 0.00 0.00 174.62 176.93 3f4f n VAL 20 N 3.35 0.16 -1.16 3.82 0.31 -1.26 -4.69 118.33 118.85 3f4f n VAL 20 Ca -0.19 -0.03 -0.34 0.00 -0.01 0.00 0.00 64.34 63.77 3f4f n VAL 20 Cb 0.53 -2.00 0.11 0.00 -0.91 0.00 0.00 33.84 31.57 3f4f n VAL 20 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3f4f n PRO 21 N 4.63 0.24 -4.00 5.55 -0.02 -1.26 -4.98 135.00 135.17 3f4f n PRO 21 Ca 0.17 0.15 -0.13 0.00 -2.02 0.00 0.00 63.50 61.67 3f4f n PRO 21 Cb 0.35 -2.29 -0.13 0.00 -0.02 0.00 0.00 33.50 31.41 3f4f n PRO 21 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3f4f s THR 22 N -2.04 0.20 0.47 3.45 -4.23 -1.12 -4.86 115.64 107.52 3f4f s THR 22 Ca 0.71 -0.31 -0.24 0.00 -1.18 0.00 0.00 61.69 60.67 3f4f s THR 22 Cb -0.30 -0.22 -0.07 0.00 1.34 0.00 0.00 72.50 73.25 3f4f s THR 22 CO 0.53 -0.07 1.34 -0.54 -0.54 0.00 0.00 174.62 175.33 3f4f s LYS 23 N -0.41 3.57 -0.00 3.99 1.02 -1.26 0.26 119.74 126.90 3f4f s LYS 23 Ca -0.03 2.21 0.21 0.00 0.02 0.00 0.00 55.97 58.38 3f4f s LYS 23 Cb -0.03 -2.51 -0.24 0.00 -0.52 0.00 0.00 37.83 34.53 3f4f s LYS 23 CO -0.00 -0.83 0.83 0.41 -0.92 0.00 0.00 175.35 174.84 3f4f n GLY 24 N 0.63 -1.00 3.69 -3.33 0.00 -1.26 -4.88 105.19 99.04 3f4f n GLY 24 Ca 0.07 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 3f4f n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f4f s SER 25 N -3.25 0.00 0.17 1.61 1.04 -1.26 -5.02 113.70 107.00 3f4f s SER 25 Ca 0.05 -0.95 -0.17 0.00 0.48 0.00 0.00 55.95 55.37 3f4f s SER 25 Cb 0.16 0.68 0.12 0.00 0.10 0.00 0.00 66.02 67.07 3f4f s SER 25 CO 0.88 -1.31 1.65 0.00 0.98 0.00 0.00 173.24 175.44 3f4f h ALA 26 N 2.12 0.24 -0.63 5.32 0.00 -2.03 -2.91 119.26 121.38 3f4f h ALA 26 Ca -0.25 0.16 -0.46 0.00 0.00 0.00 0.00 54.91 54.36 3f4f h ALA 26 Cb 1.25 0.37 -0.35 0.00 0.00 0.00 0.00 17.79 19.06 3f4f h ALA 26 CO 0.33 -0.48 -0.71 0.25 0.00 0.00 0.00 179.25 178.65 3f4f n THR 27 N -5.34 2.51 -1.84 0.00 -2.24 -1.26 -5.06 114.28 101.05 3f4f n THR 27 Ca 0.03 -4.01 -0.41 0.00 -2.27 0.00 0.00 64.05 57.40 3f4f n THR 27 Cb 0.25 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 3f4f n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f4f s ALA 28 N -3.54 3.46 0.40 6.98 0.00 -1.10 -4.92 121.76 123.03 3f4f s ALA 28 Ca 0.49 1.50 0.11 0.00 0.00 0.00 0.00 51.96 54.07 3f4f s ALA 28 Cb 0.41 -3.59 0.83 0.00 0.00 0.00 0.00 23.12 20.76 3f4f s ALA 28 CO 0.02 -1.05 1.91 0.00 0.00 0.00 0.00 175.76 176.64 3f4f h ALA 29 N 2.83 1.53 -2.25 0.00 0.00 -1.97 -3.48 119.26 115.92 3f4f h ALA 29 Ca -0.51 -0.22 -0.33 0.00 0.00 0.00 0.00 54.91 53.85 3f4f h ALA 29 Cb 1.25 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 3f4f h ALA 29 CO 0.63 0.34 -0.66 0.20 0.00 0.00 0.00 179.25 179.76 3f4f s GLY 30 N -4.14 1.34 -0.16 0.00 0.00 -1.26 -4.60 107.32 98.50 3f4f s GLY 30 Ca -0.04 -1.65 -0.04 0.00 0.00 0.00 0.00 44.72 42.98 3f4f s GLY 30 CO 0.72 -1.59 -0.02 -0.19 0.00 0.00 0.00 173.10 172.02 3f4f s TYR 31 N -3.54 3.06 0.31 1.90 1.51 0.39 -4.27 117.35 116.71 3f4f s TYR 31 Ca 0.25 -0.25 -0.29 0.00 -1.01 0.00 0.00 57.07 55.77 3f4f s TYR 31 Cb 0.06 -1.98 -0.10 0.00 -0.11 0.00 0.00 41.96 39.82 3f4f s TYR 31 CO 0.06 -0.02 1.34 -0.51 -1.11 0.00 0.00 175.55 175.31 3f4f s ASP 32 N 0.40 6.74 -0.16 2.29 1.01 0.14 0.56 116.67 127.63 3f4f s ASP 32 Ca -0.03 2.69 -0.05 0.00 0.71 0.00 0.00 52.55 55.87 3f4f s ASP 32 Cb -0.14 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.11 3f4f s ASP 32 CO 0.02 -0.58 0.00 -0.63 0.21 0.00 0.00 175.17 174.20 3f4f s ILE 33 N -0.89 4.26 -0.16 0.77 1.01 -0.16 -2.80 121.20 123.23 3f4f s ILE 33 Ca 0.51 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.87 3f4f s ILE 33 Cb -0.40 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 3f4f s ILE 33 CO 0.51 0.48 0.06 -0.31 0.00 0.00 0.00 174.94 175.69 3f4f s TYR 34 N 0.34 3.29 0.30 3.97 2.02 -1.26 -0.83 117.35 125.18 3f4f s TYR 34 Ca -0.01 0.16 -0.30 0.00 -0.37 0.00 0.00 57.07 56.55 3f4f s TYR 34 Cb -0.13 -2.01 -0.12 0.00 -0.40 0.00 0.00 41.96 39.30 3f4f s TYR 34 CO 0.02 0.30 1.51 0.00 -1.57 0.00 0.00 175.55 175.81 3f4f n ALA 35 N 3.05 2.12 -0.00 3.71 0.00 0.09 -4.57 120.51 124.90 3f4f n ALA 35 Ca -0.17 0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.76 3f4f n ALA 35 Cb 0.53 -2.40 0.26 0.00 0.00 0.00 0.00 19.45 17.84 3f4f n ALA 35 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3f4f n SER 36 N 1.75 3.70 -3.83 0.00 3.41 -0.27 0.43 113.62 118.82 3f4f n SER 36 Ca 0.08 -2.00 -0.10 0.00 -0.26 0.00 0.00 58.87 56.59 3f4f n SER 36 Cb 0.36 -0.36 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3f4f n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f4f s GLN 37 N -1.26 0.75 0.27 4.33 -2.07 -1.26 -4.87 119.66 115.54 3f4f s GLN 37 Ca 0.43 -0.68 -0.26 0.00 -1.82 0.00 0.00 55.36 53.03 3f4f s GLN 37 Cb 0.24 0.31 -0.09 0.00 -1.09 0.00 0.00 33.01 32.38 3f4f s GLN 37 CO 0.32 -0.23 0.89 -0.51 -1.32 0.00 0.00 175.29 174.45 3f4f s ASP 38 N -2.25 7.40 0.03 12.60 1.01 -1.26 -3.14 116.67 131.06 3f4f s ASP 38 Ca -0.03 1.79 -0.28 0.00 0.71 0.00 0.00 52.55 54.75 3f4f s ASP 38 Cb 0.00 -2.56 0.08 0.00 1.01 0.00 0.00 42.92 41.45 3f4f s ASP 38 CO -0.05 0.05 0.70 -0.51 0.21 0.00 0.00 175.17 175.57 3f4f s ILE 39 N -1.42 0.00 -0.15 0.77 2.07 -0.67 -4.95 121.20 116.85 3f4f s ILE 39 Ca 0.45 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.66 3f4f s ILE 39 Cb -0.21 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.35 3f4f s ILE 39 CO 0.26 0.00 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.35 3f4f s THR 40 N -2.40 3.80 -0.41 4.00 2.01 -1.26 -0.57 115.64 120.81 3f4f s THR 40 Ca -0.04 -0.40 -0.16 0.00 0.31 0.00 0.00 61.69 61.40 3f4f s THR 40 Cb -0.01 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.87 3f4f s THR 40 CO -0.02 0.51 0.39 -0.63 -0.69 0.00 0.00 174.62 174.18 3f4f s ILE 41 N 0.27 5.14 0.61 1.82 -1.09 0.12 -4.89 121.20 123.18 3f4f s ILE 41 Ca -0.04 -0.43 -0.19 0.00 -2.23 0.00 0.00 60.65 57.77 3f4f s ILE 41 Cb -0.14 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 3f4f s ILE 41 CO 0.03 -0.38 1.27 -2.84 -1.23 0.00 0.00 174.94 171.79 3f4f s PRO 42 N 1.99 2.81 0.42 2.79 0.02 -1.26 -0.84 135.00 140.93 3f4f s PRO 42 Ca 0.10 1.99 -0.26 0.00 0.02 0.00 0.00 61.00 62.85 3f4f s PRO 42 Cb -0.18 -1.94 -0.10 0.00 0.02 0.00 0.00 34.50 32.31 3f4f s PRO 42 CO 0.12 -1.38 1.28 0.00 -0.33 0.00 0.00 177.00 176.70 3f4f n ALA 43 N -1.65 1.34 -4.18 -1.55 0.00 -1.26 -2.13 120.51 111.08 3f4f n ALA 43 Ca 0.14 0.27 -0.32 0.00 0.00 0.00 0.00 53.44 53.53 3f4f n ALA 43 Cb 0.48 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 3f4f n ALA 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3f4f n MET 44 N 0.07 -2.59 0.00 0.00 2.81 -0.44 -4.88 117.12 112.09 3f4f n MET 44 Ca 0.06 0.31 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 3f4f n MET 44 Cb 0.39 -4.60 0.00 0.00 -0.71 0.00 0.00 33.22 28.31 3f4f n MET 44 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3f4f n GLY 45 N -1.78 3.78 3.63 3.03 0.00 -0.91 -5.00 105.19 107.94 3f4f n GLY 45 Ca -0.13 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 3f4f n GLY 45 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3f4f s GLN 46 N 1.02 1.54 0.27 1.61 -2.07 -1.26 -0.59 119.66 120.19 3f4f s GLN 46 Ca 0.00 -1.03 -0.20 0.00 -1.82 0.00 0.00 55.36 52.31 3f4f s GLN 46 Cb 0.00 0.53 0.06 0.00 -1.09 0.00 0.00 33.01 32.50 3f4f s GLN 46 CO 0.00 -0.67 0.88 0.20 -1.32 0.00 0.00 175.29 174.39 3f4f s GLY 47 N -2.94 0.11 -0.07 2.60 0.00 -0.00 -4.53 107.32 102.50 3f4f s GLY 47 Ca 0.14 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.48 3f4f s GLY 47 CO 0.04 0.56 -0.10 -0.29 0.00 0.00 0.00 173.10 173.31 3f4f s MET 48 N -2.71 1.48 -0.18 2.90 1.75 -1.26 -0.77 119.30 120.50 3f4f s MET 48 Ca 0.16 -0.32 -0.07 0.00 -1.25 0.00 0.00 55.69 54.20 3f4f s MET 48 Cb -0.04 -1.30 -0.04 0.00 2.84 0.00 0.00 34.83 36.30 3f4f s MET 48 CO 0.07 -0.03 0.06 0.08 -0.65 0.00 0.00 175.02 174.55 3f4f s VAL 49 N 0.84 4.78 0.50 10.11 1.01 0.10 -4.95 120.40 132.79 3f4f s VAL 49 Ca -0.12 -0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 3f4f s VAL 49 Cb -0.15 -3.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.99 3f4f s VAL 49 CO 0.02 0.46 1.00 -0.94 0.00 0.00 0.00 175.10 175.64 3f4f s SER 50 N 0.36 6.51 0.00 3.32 1.04 -1.26 -1.73 113.70 121.94 3f4f s SER 50 Ca 0.03 1.73 0.00 0.00 0.48 0.00 0.00 55.95 58.19 3f4f s SER 50 Cb -0.12 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.46 3f4f s SER 50 CO 0.00 -0.66 0.00 0.35 0.98 0.00 0.00 173.24 173.91 3f4f n THR 51 N -1.24 0.00 -2.37 2.02 -2.24 -1.25 -1.11 114.28 108.09 3f4f n THR 51 Ca 0.08 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.73 3f4f n THR 51 Cb 0.53 0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 3f4f n THR 51 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3f4f n ASP 52 N -1.36 -4.02 -4.38 3.42 9.92 -1.26 -4.37 116.55 114.50 3f4f n ASP 52 Ca 0.00 0.19 -0.23 0.00 -0.53 0.00 0.00 54.79 54.22 3f4f n ASP 52 Cb 0.04 -3.43 -0.11 0.00 -0.64 0.00 0.00 41.12 36.98 3f4f n ASP 52 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3f4f s ILE 53 N -2.61 2.04 0.15 0.53 -4.36 -1.26 -0.32 121.20 115.37 3f4f s ILE 53 Ca 0.00 -2.06 0.07 0.00 -0.26 0.00 0.00 60.65 58.39 3f4f s ILE 53 Cb 0.00 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 3f4f s ILE 53 CO 0.00 -0.32 -0.15 -0.44 0.24 0.00 0.00 174.94 174.27 3f4f s SER 54 N -2.89 2.29 0.10 4.36 0.01 -0.63 -0.68 113.70 116.26 3f4f s SER 54 Ca 0.20 -0.89 -0.19 0.00 1.31 0.00 0.00 55.95 56.39 3f4f s SER 54 Cb -0.05 -0.10 0.04 0.00 0.21 0.00 0.00 66.02 66.12 3f4f s SER 54 CO 0.09 -0.14 0.45 0.72 0.41 0.00 0.00 173.24 174.77 3f4f s PHE 55 N -2.40 -0.30 -0.23 2.43 -0.71 -1.26 -0.16 117.98 115.35 3f4f s PHE 55 Ca 0.14 0.13 0.02 0.00 -1.04 0.00 0.00 56.93 56.18 3f4f s PHE 55 Cb -0.04 0.31 0.04 0.00 -1.21 0.00 0.00 43.02 42.12 3f4f s PHE 55 CO 0.05 -0.68 -0.13 0.99 -1.34 0.00 0.00 175.22 174.10 3f4f s THR 56 N -3.26 2.26 0.64 -4.49 2.01 -0.53 -4.82 115.64 107.45 3f4f s THR 56 Ca -0.01 -1.31 -0.14 0.00 0.31 0.00 0.00 61.69 60.54 3f4f s THR 56 Cb 0.00 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.32 3f4f s THR 56 CO -0.08 0.19 1.07 0.68 -0.69 0.00 0.00 174.62 175.78 3f4f s VAL 57 N 1.20 3.77 0.74 3.82 -7.23 -1.26 -2.27 120.40 119.17 3f4f s VAL 57 Ca -0.03 0.74 -0.14 0.00 -1.81 0.00 0.00 61.98 60.74 3f4f s VAL 57 Cb -0.17 -3.32 0.05 0.00 0.56 0.00 0.00 36.38 33.50 3f4f s VAL 57 CO -0.07 -0.59 1.18 -2.84 -0.31 0.00 0.00 175.10 172.46 3f4f s PRO 58 N -4.41 2.12 0.37 4.82 0.02 -1.24 -4.92 135.00 131.75 3f4f s PRO 58 Ca 0.62 1.64 -0.26 0.00 0.02 0.00 0.00 61.00 63.02 3f4f s PRO 58 Cb -0.16 -1.84 -0.12 0.00 0.02 0.00 0.00 34.50 32.40 3f4f s PRO 58 CO 0.44 -1.83 1.08 0.28 -0.33 0.00 0.00 177.00 176.65 3f4f n VAL 59 N -2.90 2.22 -1.03 3.83 0.31 -1.26 -2.36 118.33 117.14 3f4f n VAL 59 Ca 0.12 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.94 3f4f n VAL 59 Cb 0.51 -1.22 -0.00 0.00 -0.91 0.00 0.00 33.84 32.21 3f4f n VAL 59 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f4f n GLY 60 N 1.09 0.48 3.31 2.92 0.00 -1.26 -4.98 105.19 106.74 3f4f n GLY 60 Ca 0.08 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 3f4f n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f4f s THR 61 N -1.92 1.03 0.32 2.61 -4.23 -1.00 -1.17 115.64 111.29 3f4f s THR 61 Ca 0.00 -2.04 0.05 0.00 -1.18 0.00 0.00 61.69 58.53 3f4f s THR 61 Cb 0.00 -2.24 -0.06 0.00 1.34 0.00 0.00 72.50 71.54 3f4f s THR 61 CO 0.00 -0.41 0.01 -0.72 -0.54 0.00 0.00 174.62 172.96 3f4f s TYR 62 N -3.42 2.06 -0.37 3.99 1.13 -0.76 -4.63 117.35 115.34 3f4f s TYR 62 Ca 0.26 -0.82 -0.15 0.00 -1.41 0.00 0.00 57.07 54.95 3f4f s TYR 62 Cb 0.05 -1.31 0.00 0.00 -1.10 0.00 0.00 41.96 39.60 3f4f s TYR 62 CO 0.07 0.18 0.34 0.20 -2.51 0.00 0.00 175.55 173.82 3f4f s GLY 63 N -3.51 1.94 -0.26 5.49 0.00 -0.73 -1.96 107.32 108.30 3f4f s GLY 63 Ca 0.34 -1.44 -0.18 0.00 0.00 0.00 0.00 44.72 43.45 3f4f s GLY 63 CO 0.15 0.96 0.50 -1.60 0.00 0.00 0.00 173.10 173.11 3f4f s ARG 64 N 1.90 4.07 -0.45 2.90 3.52 0.45 -0.42 118.95 130.91 3f4f s ARG 64 Ca 0.09 0.29 -0.27 0.00 -0.13 0.00 0.00 55.73 55.71 3f4f s ARG 64 Cb -0.17 -3.65 0.03 0.00 -1.56 0.00 0.00 34.95 29.59 3f4f s ARG 64 CO 0.11 -0.33 1.00 0.42 -0.81 0.00 0.00 175.30 175.69 3f4f s ILE 65 N 2.25 4.39 0.31 4.11 1.01 0.30 -0.63 121.20 132.95 3f4f s ILE 65 Ca 0.20 0.98 0.09 0.00 0.00 0.00 0.00 60.65 61.93 3f4f s ILE 65 Cb -0.16 -4.48 -0.05 0.00 0.01 0.00 0.00 42.46 37.78 3f4f s ILE 65 CO 0.09 -0.85 0.00 0.00 0.00 0.00 0.00 174.94 174.18 3f4f s ALA 66 N 3.96 3.19 0.43 9.38 0.00 0.18 -4.68 121.76 134.23 3f4f s ALA 66 Ca 0.41 -1.82 -0.22 0.00 0.00 0.00 0.00 51.96 50.33 3f4f s ALA 66 Cb -0.09 -0.56 -0.10 0.00 0.00 0.00 0.00 23.12 22.36 3f4f s ALA 66 CO 0.27 0.16 0.99 -1.25 0.00 0.00 0.00 175.76 175.93 3f4f s PRO 67 N -3.70 4.13 0.20 0.00 0.05 -1.26 -0.80 135.00 133.62 3f4f s PRO 67 Ca 0.33 1.27 -0.30 0.00 0.05 0.00 0.00 61.00 62.36 3f4f s PRO 67 Cb -0.03 -2.27 -0.08 0.00 0.05 0.00 0.00 34.50 32.16 3f4f s PRO 67 CO 0.20 -0.13 1.06 1.03 0.05 0.00 0.00 177.00 179.21 3f4f s ARG 68 N -2.97 4.65 0.07 4.56 0.52 -1.26 -4.66 118.95 119.85 3f4f s ARG 68 Ca 0.62 1.68 -0.20 0.00 -0.52 0.00 0.00 55.73 57.31 3f4f s ARG 68 Cb -0.14 -3.27 -0.11 0.00 0.52 0.00 0.00 34.95 31.95 3f4f s ARG 68 CO 0.18 0.18 1.46 0.77 0.02 0.00 0.00 175.30 177.92 3f4f h SER 69 N 4.75 0.37 -0.71 0.23 0.02 -1.96 -2.90 113.55 113.35 3f4f h SER 69 Ca -0.45 -0.36 0.01 0.00 -0.84 0.00 0.00 61.79 60.16 3f4f h SER 69 Cb 1.21 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.61 3f4f h SER 69 CO 0.71 0.64 0.46 1.23 -1.14 0.00 0.00 176.83 178.73 3f4f h GLY 70 N 0.10 1.00 1.55 -3.77 0.00 -1.99 -2.09 103.07 97.86 3f4f h GLY 70 Ca 0.05 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3f4f h GLY 70 CO 0.02 0.34 -0.03 1.41 0.00 0.00 0.00 176.54 178.28 3f4f h LEU 71 N 0.93 0.53 0.07 3.11 3.38 -1.90 0.32 115.31 121.76 3f4f h LEU 71 Ca 0.27 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3f4f h LEU 71 Cb -0.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3f4f h LEU 71 CO -0.07 0.62 -0.04 0.00 0.09 0.00 0.00 178.44 179.05 3f4f h ALA 72 N 1.44 -0.10 -0.14 1.53 0.00 -1.22 0.04 119.26 120.81 3f4f h ALA 72 Ca 0.11 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3f4f h ALA 72 Cb 0.39 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3f4f h ALA 72 CO 0.02 -0.48 -0.28 0.28 0.00 0.00 0.00 179.25 178.78 3f4f h VAL 73 N -0.25 1.37 0.10 0.00 2.07 -1.11 -2.31 116.25 116.12 3f4f h VAL 73 Ca -0.01 -1.55 -0.26 0.00 0.82 0.00 0.00 66.70 65.70 3f4f h VAL 73 Cb 0.22 2.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3f4f h VAL 73 CO 0.02 0.46 -1.18 0.11 0.02 0.00 0.00 177.57 177.00 3f4f h LYS 74 N 0.04 0.24 0.00 1.57 1.57 -0.44 -3.40 116.57 116.15 3f4f h LYS 74 Ca 0.00 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3f4f h LYS 74 Cb 0.88 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3f4f h LYS 74 CO 0.06 1.17 0.00 0.09 -0.57 0.00 0.00 179.45 180.21 3f4f n ASN 75 N -3.53 0.35 -0.50 0.86 3.02 -0.07 -5.01 115.26 110.38 3f4f n ASN 75 Ca -0.07 -0.66 -0.06 0.00 -0.03 0.00 0.00 54.58 53.76 3f4f n ASN 75 Cb 0.99 0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 40.56 3f4f n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f4f n GLY 76 N 0.42 0.63 3.76 7.41 0.00 -0.80 -4.41 105.19 112.19 3f4f n GLY 76 Ca 0.00 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 3f4f n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f4f s ILE 77 N -2.23 4.83 -0.01 -0.61 -1.09 -0.93 -0.90 121.20 120.26 3f4f s ILE 77 Ca 0.00 1.41 0.02 0.00 -2.23 0.00 0.00 60.65 59.84 3f4f s ILE 77 Cb 0.00 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 3f4f s ILE 77 CO 0.00 0.40 -0.05 -1.58 -1.23 0.00 0.00 174.94 172.48 3f4f s GLN 78 N -0.16 0.50 0.43 2.79 2.00 -0.18 -3.50 119.66 121.54 3f4f s GLN 78 Ca 0.34 -0.17 -0.23 0.00 -2.00 0.00 0.00 55.36 53.30 3f4f s GLN 78 Cb -0.19 -0.50 -0.08 0.00 0.80 0.00 0.00 33.01 33.03 3f4f s GLN 78 CO 0.20 0.07 1.10 0.95 -0.50 0.00 0.00 175.29 177.11 3f4f s THR 79 N 0.11 3.43 0.51 -0.34 -4.23 -1.26 -0.43 115.64 113.43 3f4f s THR 79 Ca -0.01 1.08 0.04 0.00 -1.18 0.00 0.00 61.69 61.63 3f4f s THR 79 Cb -0.05 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.24 3f4f s THR 79 CO -0.00 -0.01 0.23 -0.83 -0.54 0.00 0.00 174.62 173.47 3f4f s GLY 80 N -1.47 2.57 0.00 3.99 0.00 0.00 -4.79 107.32 107.62 3f4f s GLY 80 Ca 0.61 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 44.17 3f4f s GLY 80 CO 0.31 -2.01 0.00 0.00 0.00 0.00 0.00 173.10 171.39 3f4f n ALA 81 N -1.50 0.00 0.00 3.20 0.00 -1.26 -4.44 120.51 116.51 3f4f n ALA 81 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3f4f n ALA 81 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 3f4f n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f4f n GLY 82 N 0.00 0.68 3.36 0.00 0.00 -1.26 -4.96 105.19 103.00 3f4f n GLY 82 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3f4f n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f4f s VAL 83 N -2.00 5.20 -0.34 1.61 1.01 -1.26 -0.54 120.40 124.08 3f4f s VAL 83 Ca 0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.61 3f4f s VAL 83 Cb 0.00 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 3f4f s VAL 83 CO 0.00 -0.68 0.34 -0.69 0.00 0.00 0.00 175.10 174.07 3f4f s VAL 84 N 1.62 5.19 0.53 2.92 1.01 0.44 -4.99 120.40 127.12 3f4f s VAL 84 Ca 0.04 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.82 3f4f s VAL 84 Cb -0.26 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 3f4f s VAL 84 CO 0.05 -0.08 1.06 -1.81 0.00 0.00 0.00 175.10 174.32 3f4f s ASP 85 N 1.73 6.05 0.55 3.32 1.11 -1.26 -1.77 116.67 126.40 3f4f s ASP 85 Ca 0.11 1.94 0.30 0.00 0.18 0.00 0.00 52.55 55.07 3f4f s ASP 85 Cb -0.17 -2.56 1.62 0.00 1.07 0.00 0.00 42.92 42.89 3f4f s ASP 85 CO 0.11 -0.99 2.14 -0.09 1.18 0.00 0.00 175.17 177.52 3f4f h ARG 86 N 1.13 0.00 -0.23 8.23 2.43 -1.92 -2.48 114.38 121.54 3f4f h ARG 86 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3f4f h ARG 86 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3f4f h ARG 86 CO 0.58 0.08 0.00 -0.40 -1.51 0.00 0.00 179.97 178.72 3f4f n ASP 87 N -3.59 1.95 -4.69 -3.80 3.85 -1.26 -4.62 116.55 104.38 3f4f n ASP 87 Ca -0.02 -1.79 -0.42 0.00 -0.71 0.00 0.00 54.79 51.85 3f4f n ASP 87 Cb 0.19 -0.15 -0.03 0.00 -1.35 0.00 0.00 41.12 39.79 3f4f n ASP 87 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 3f4f s TYR 88 N -1.71 3.54 -0.17 2.11 5.04 -0.94 -4.91 117.35 120.32 3f4f s TYR 88 Ca 0.32 1.58 0.02 0.00 -2.44 0.00 0.00 57.07 56.55 3f4f s TYR 88 Cb 0.17 -3.14 0.04 0.00 0.35 0.00 0.00 41.96 39.38 3f4f s TYR 88 CO 0.26 -0.16 0.90 0.25 -1.34 0.00 0.00 175.55 175.45 3f4f n THR 89 N 4.38 0.70 -1.95 4.34 -2.24 -1.26 -4.64 114.28 113.61 3f4f n THR 89 Ca 0.07 -0.85 -0.25 0.00 -2.27 0.00 0.00 64.05 60.75 3f4f n THR 89 Cb 0.49 0.66 0.17 0.00 -2.10 0.00 0.00 70.33 69.56 3f4f n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f4f n GLY 90 N -0.20 -1.11 3.70 3.38 0.00 -1.26 -4.92 105.19 104.77 3f4f n GLY 90 Ca 0.02 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 3f4f n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3f4f s GLU 91 N -5.47 4.30 0.08 1.61 2.12 -1.26 -4.46 118.70 115.61 3f4f s GLU 91 Ca 0.66 2.04 -0.31 0.00 0.36 0.00 0.00 54.97 57.73 3f4f s GLU 91 Cb -0.02 -3.42 -0.07 0.00 0.26 0.00 0.00 34.13 30.88 3f4f s GLU 91 CO 0.46 -0.52 1.32 0.08 -0.54 0.00 0.00 175.26 176.07 3f4f s VAL 92 N 1.79 3.61 -0.05 3.70 1.01 0.15 -5.00 120.40 125.60 3f4f s VAL 92 Ca 0.65 1.14 0.03 0.00 0.00 0.00 0.00 61.98 63.80 3f4f s VAL 92 Cb -0.35 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3f4f s VAL 92 CO 0.29 0.08 -0.13 -0.54 0.00 0.00 0.00 175.10 174.79 3f4f s LYS 93 N 1.27 2.56 -0.32 2.72 -0.14 -1.26 -3.85 119.74 120.73 3f4f s LYS 93 Ca 0.62 -0.68 -0.15 0.00 -1.36 0.00 0.00 55.97 54.41 3f4f s LYS 93 Cb -0.34 -2.41 -0.02 0.00 -1.68 0.00 0.00 37.83 33.38 3f4f s LYS 93 CO 0.29 0.61 0.37 0.08 -0.76 0.00 0.00 175.35 175.95 3f4f s VAL 94 N -0.70 5.16 -0.19 3.17 1.01 -0.70 -4.94 120.40 123.21 3f4f s VAL 94 Ca 0.11 0.21 -0.19 0.00 0.00 0.00 0.00 61.98 62.11 3f4f s VAL 94 Cb -0.11 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3f4f s VAL 94 CO 0.01 -0.02 0.54 -0.69 0.00 0.00 0.00 175.10 174.93 3f4f s VAL 95 N 2.05 5.10 -0.10 2.92 1.01 -1.26 0.02 120.40 130.14 3f4f s VAL 95 Ca 0.13 1.01 0.04 0.00 0.00 0.00 0.00 61.98 63.15 3f4f s VAL 95 Cb -0.16 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.36 3f4f s VAL 95 CO 0.11 0.19 -0.22 -0.76 0.00 0.00 0.00 175.10 174.42 3f4f s LEU 96 N 1.54 2.03 -0.12 3.92 1.43 0.05 -0.82 118.68 126.71 3f4f s LEU 96 Ca 0.25 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.72 3f4f s LEU 96 Cb -0.15 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 3f4f s LEU 96 CO 0.10 0.13 0.22 -0.36 0.23 0.00 0.00 176.35 176.67 3f4f s PHE 97 N 0.45 3.56 -0.38 0.29 0.40 0.43 -0.82 117.98 121.91 3f4f s PHE 97 Ca -0.17 0.59 -0.07 0.00 -0.60 0.00 0.00 56.93 56.69 3f4f s PHE 97 Cb -0.17 -2.12 0.07 0.00 0.51 0.00 0.00 43.02 41.30 3f4f s PHE 97 CO 0.07 0.54 0.17 1.21 0.70 0.00 0.00 175.22 177.91 3f4f s ASN 98 N -0.49 5.40 0.00 1.36 3.84 0.24 -1.01 114.94 124.28 3f4f s ASN 98 Ca 0.16 -1.42 0.17 0.00 0.21 0.00 0.00 52.86 51.98 3f4f s ASN 98 Cb -0.13 -1.90 0.48 0.00 -0.55 0.00 0.00 41.25 39.16 3f4f s ASN 98 CO 0.05 -0.43 1.40 1.41 -2.79 0.00 0.00 177.10 176.73 3f4f n HIS 99 N 4.80 0.65 -2.75 0.43 8.25 -0.08 -1.33 115.22 125.19 3f4f n HIS 99 Ca -0.10 -0.32 -0.21 0.00 -0.26 0.00 0.00 57.72 56.83 3f4f n HIS 99 Cb 0.43 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.61 3f4f n HIS 99 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3f4f s SER 100 N -1.08 4.94 0.00 0.41 1.04 -1.26 -4.77 113.70 112.99 3f4f s SER 100 Ca 0.35 -0.38 0.19 0.00 0.48 0.00 0.00 55.95 56.59 3f4f s SER 100 Cb 0.18 -0.27 0.64 0.00 0.10 0.00 0.00 66.02 66.68 3f4f s SER 100 CO 0.25 -1.40 1.48 0.00 0.98 0.00 0.00 173.24 174.54 3f4f n GLN 101 N -2.44 1.77 -5.21 4.02 6.02 -1.26 -1.43 117.38 118.85 3f4f n GLN 101 Ca 0.12 -1.17 -0.31 0.00 -0.01 0.00 0.00 57.00 55.63 3f4f n GLN 101 Cb 0.60 -1.37 -0.17 0.00 1.02 0.00 0.00 30.24 30.33 3f4f n GLN 101 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3f4f s ARG 102 N -1.72 2.71 0.39 -1.09 0.52 -1.26 -4.85 118.95 113.66 3f4f s ARG 102 Ca 0.31 -0.87 -0.26 0.00 -0.52 0.00 0.00 55.73 54.39 3f4f s ARG 102 Cb 0.16 -2.18 -0.11 0.00 0.52 0.00 0.00 34.95 33.34 3f4f s ARG 102 CO 0.24 0.28 1.08 -0.25 0.02 0.00 0.00 175.30 176.67 3f4f n ASP 103 N 3.22 1.64 -4.21 0.23 10.43 -1.26 -4.15 116.55 122.46 3f4f n ASP 103 Ca -0.18 1.09 -0.35 0.00 2.57 0.00 0.00 54.79 57.92 3f4f n ASP 103 Cb 0.52 -1.38 -0.14 0.00 1.84 0.00 0.00 41.12 41.96 3f4f n ASP 103 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 3f4f s PHE 104 N -1.21 3.10 -0.03 1.24 5.99 -0.02 -4.90 117.98 122.14 3f4f s PHE 104 Ca 0.61 -1.55 -0.20 0.00 0.00 0.00 0.00 56.93 55.79 3f4f s PHE 104 Cb -0.57 -2.08 -0.05 0.00 0.00 0.00 0.00 43.02 40.32 3f4f s PHE 104 CO 0.58 -0.73 0.56 0.00 -0.00 0.00 0.00 175.22 175.64 3f4f s ALA 105 N 1.33 3.49 -0.05 11.12 0.00 -1.26 -0.70 121.76 135.68 3f4f s ALA 105 Ca -0.00 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 51.98 3f4f s ALA 105 Cb -0.17 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 3f4f s ALA 105 CO -0.03 0.13 -0.20 0.42 0.00 0.00 0.00 175.76 176.08 3f4f s ILE 106 N -0.00 2.53 0.11 0.00 1.01 0.27 -5.00 121.20 120.11 3f4f s ILE 106 Ca 0.30 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 60.10 3f4f s ILE 106 Cb -0.17 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 3f4f s ILE 106 CO 0.15 0.58 -0.08 -0.54 0.00 0.00 0.00 174.94 175.05 3f4f s LYS 107 N -0.45 2.21 0.14 2.79 -0.14 -1.26 -1.68 119.74 121.35 3f4f s LYS 107 Ca 0.05 -1.01 -0.34 0.00 -1.36 0.00 0.00 55.97 53.31 3f4f s LYS 107 Cb -0.12 -2.34 -0.15 0.00 -1.68 0.00 0.00 37.83 33.54 3f4f s LYS 107 CO 0.01 0.51 1.36 1.17 -0.76 0.00 0.00 175.35 177.64 3f4f n LYS 108 N 0.60 1.48 -0.09 1.68 4.81 -1.19 -1.38 118.16 124.08 3f4f n LYS 108 Ca -0.13 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 3f4f n LYS 108 Cb 0.52 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.40 3f4f n LYS 108 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3f4f n GLY 109 N 2.56 1.10 3.78 3.14 0.00 0.17 -4.95 105.19 110.99 3f4f n GLY 109 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3f4f n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f4f s ASP 110 N -2.85 6.58 -0.23 1.61 1.01 -0.48 -4.72 116.67 117.59 3f4f s ASP 110 Ca 0.00 2.11 -0.28 0.00 0.71 0.00 0.00 52.55 55.09 3f4f s ASP 110 Cb 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.35 3f4f s ASP 110 CO 0.00 -0.62 0.97 -0.13 0.21 0.00 0.00 175.17 175.60 3f4f s ARG 111 N -2.58 4.24 0.00 8.23 0.52 -1.26 -0.73 118.95 127.37 3f4f s ARG 111 Ca 0.60 1.23 0.04 0.00 -0.52 0.00 0.00 55.73 57.08 3f4f s ARG 111 Cb -0.24 -3.64 -0.02 0.00 0.52 0.00 0.00 34.95 31.58 3f4f s ARG 111 CO 0.29 -0.58 0.32 1.33 0.02 0.00 0.00 175.30 176.69 3f4f n VAL 112 N 5.26 0.00 -3.94 3.52 0.24 -0.01 -4.96 118.33 118.44 3f4f n VAL 112 Ca 0.10 -0.43 -0.01 0.00 -2.04 0.00 0.00 64.34 61.96 3f4f n VAL 112 Cb 0.47 1.03 0.02 0.00 -1.47 0.00 0.00 33.84 33.88 3f4f n VAL 112 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f4f n ALA 113 N -0.67 -3.01 -2.71 2.33 0.00 -1.24 -4.61 120.51 110.60 3f4f n ALA 113 Ca 0.01 -0.91 -0.18 0.00 0.00 0.00 0.00 53.44 52.37 3f4f n ALA 113 Cb 0.08 0.38 -0.13 0.00 0.00 0.00 0.00 19.45 19.78 3f4f n ALA 113 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3f4f s GLN 114 N -2.03 0.72 -0.18 0.00 -2.07 0.02 -0.99 119.66 115.13 3f4f s GLN 114 Ca 0.25 -0.55 -0.17 0.00 -1.82 0.00 0.00 55.36 53.08 3f4f s GLN 114 Cb -0.02 -0.67 -0.04 0.00 -1.09 0.00 0.00 33.01 31.19 3f4f s GLN 114 CO 0.03 0.17 0.42 -1.17 -1.32 0.00 0.00 175.29 173.42 3f4f s LEU 115 N -0.82 4.19 -0.10 2.60 2.96 0.19 -0.64 118.68 127.06 3f4f s LEU 115 Ca -0.00 0.61 0.03 0.00 -0.22 0.00 0.00 54.13 54.55 3f4f s LEU 115 Cb -0.06 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.05 3f4f s LEU 115 CO 0.00 -0.05 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.16 3f4f s ILE 116 N 1.10 2.49 -1.04 6.68 1.01 0.20 -0.47 121.20 131.16 3f4f s ILE 116 Ca 0.21 -0.88 -0.17 0.00 0.00 0.00 0.00 60.65 59.82 3f4f s ILE 116 Cb -0.15 -1.98 0.15 0.00 0.01 0.00 0.00 42.46 40.49 3f4f s ILE 116 CO 0.08 0.55 1.25 -0.76 0.00 0.00 0.00 174.94 176.06 3f4f s LEU 117 N 0.20 5.08 -0.02 2.97 1.43 -1.26 -0.41 118.68 126.66 3f4f s LEU 117 Ca -0.12 -2.45 -0.30 0.00 -1.03 0.00 0.00 54.13 50.23 3f4f s LEU 117 Cb -0.16 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 3f4f s LEU 117 CO 0.07 -0.92 1.09 -1.61 0.23 0.00 0.00 176.35 175.20 3f4f s GLU 118 N 2.19 4.45 0.11 1.70 0.41 -0.83 -4.87 118.70 121.86 3f4f s GLU 118 Ca 0.37 1.55 -0.28 0.00 -0.41 0.00 0.00 54.97 56.19 3f4f s GLU 118 Cb -0.04 -3.48 -0.06 0.00 -1.78 0.00 0.00 34.13 28.77 3f4f s GLU 118 CO -0.06 -0.25 0.89 0.15 -0.49 0.00 0.00 175.26 175.51 3f4f s LYS 119 N 1.54 4.66 0.10 1.61 1.02 -1.26 -1.83 119.74 125.57 3f4f s LYS 119 Ca 0.54 1.33 -0.02 0.00 0.02 0.00 0.00 55.97 57.84 3f4f s LYS 119 Cb -0.23 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 3f4f s LYS 119 CO 0.24 0.30 0.03 0.96 -0.92 0.00 0.00 175.35 175.97 3f4f s ILE 120 N -0.26 0.15 -0.56 2.17 -4.36 -0.32 -4.97 121.20 113.06 3f4f s ILE 120 Ca 0.43 -1.83 -0.22 0.00 -0.26 0.00 0.00 60.65 58.77 3f4f s ILE 120 Cb -0.23 -1.80 0.06 0.00 1.25 0.00 0.00 42.46 41.74 3f4f s ILE 120 CO 0.28 -0.68 0.82 -0.69 0.24 0.00 0.00 174.94 174.91 3f4f s VAL 121 N -3.99 4.57 -0.74 8.37 1.01 -1.26 -4.63 120.40 123.73 3f4f s VAL 121 Ca 0.16 -0.21 0.16 0.00 0.00 0.00 0.00 61.98 62.09 3f4f s VAL 121 Cb 0.07 -4.48 0.61 0.00 0.00 0.00 0.00 36.38 32.58 3f4f s VAL 121 CO -0.03 -1.08 1.53 -0.90 0.00 0.00 0.00 175.10 174.61 3f4f n ASP 122 N 6.99 4.33 -1.91 3.32 3.85 -1.26 -4.44 116.55 127.43 3f4f n ASP 122 Ca -0.03 -2.57 -0.00 0.00 -0.71 0.00 0.00 54.79 51.47 3f4f n ASP 122 Cb 0.46 -0.52 0.06 0.00 -1.35 0.00 0.00 41.12 39.76 3f4f n ASP 122 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3f4f n ASP 123 N 0.53 1.73 -4.77 -1.12 5.75 -1.26 -5.10 116.55 112.32 3f4f n ASP 123 Ca 0.22 -2.45 -0.34 0.00 -0.01 0.00 0.00 54.79 52.21 3f4f n ASP 123 Cb 0.85 -0.40 0.04 0.00 -1.03 0.00 0.00 41.12 40.58 3f4f n ASP 123 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f4f s ALA 124 N -2.16 2.50 -0.25 2.12 0.00 -1.26 -5.01 121.76 117.70 3f4f s ALA 124 Ca 0.34 0.67 -0.16 0.00 0.00 0.00 0.00 51.96 52.81 3f4f s ALA 124 Cb 0.37 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 3f4f s ALA 124 CO -0.09 -1.19 0.41 -0.65 0.00 0.00 0.00 175.76 174.24 3f4f s GLN 125 N -3.83 4.07 -0.22 0.00 -1.52 -1.26 -5.06 119.66 111.84 3f4f s GLN 125 Ca 0.70 0.15 -0.22 0.00 -1.95 0.00 0.00 55.36 54.04 3f4f s GLN 125 Cb -0.23 -3.62 -0.02 0.00 -0.22 0.00 0.00 33.01 28.92 3f4f s GLN 125 CO 0.38 -0.23 0.69 -1.50 -0.25 0.00 0.00 175.29 174.37 3f4f s ILE 126 N 1.93 4.96 -0.03 1.08 2.07 -1.26 -5.04 121.20 124.91 3f4f s ILE 126 Ca 0.17 1.29 0.03 0.00 -1.41 0.00 0.00 60.65 60.73 3f4f s ILE 126 Cb -0.15 -3.99 0.00 0.00 0.13 0.00 0.00 42.46 38.44 3f4f s ILE 126 CO 0.09 0.04 -0.11 0.68 -1.91 0.00 0.00 174.94 173.73 3f4f s VAL 127 N 2.31 0.94 -0.19 4.00 -7.23 -1.26 -5.12 120.40 113.86 3f4f s VAL 127 Ca 0.30 -0.44 -0.21 0.00 -1.81 0.00 0.00 61.98 59.82 3f4f s VAL 127 Cb -0.16 -0.83 -0.03 0.00 0.56 0.00 0.00 36.38 35.93 3f4f s VAL 127 CO 0.09 0.29 0.63 -0.69 -0.31 0.00 0.00 175.10 175.11 3f4f s VAL 128 N 0.19 5.03 0.29 1.32 1.01 -1.26 -5.06 120.40 121.91 3f4f s VAL 128 Ca -0.04 1.19 0.12 0.00 0.00 0.00 0.00 61.98 63.25 3f4f s VAL 128 Cb -0.10 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3f4f s VAL 128 CO 0.01 0.12 -0.18 0.68 0.00 0.00 0.00 175.10 175.73 3f4f s VAL 129 N 1.83 2.48 0.09 2.92 -7.23 -1.26 -5.05 120.40 114.17 3f4f s VAL 129 Ca 0.29 -2.37 -0.13 0.00 -1.81 0.00 0.00 61.98 57.95 3f4f s VAL 129 Cb -0.16 -2.35 -0.19 0.00 0.56 0.00 0.00 36.38 34.24 3f4f s VAL 129 CO 0.11 -0.38 1.25 0.44 -0.31 0.00 0.00 175.10 176.21 3f4f h ASP 130 N 2.23 0.94 -5.06 4.85 3.32 -2.10 -3.47 116.42 117.13 3f4f h ASP 130 Ca -0.40 -0.68 -0.08 0.00 0.02 0.00 0.00 57.03 55.88 3f4f h ASP 130 Cb 1.26 -0.28 -0.16 0.00 0.22 0.00 0.00 39.33 40.37 3f4f h ASP 130 CO 0.61 1.48 -0.19 -0.94 -1.72 0.00 0.00 179.24 178.48 3f4f s SER 131 N -7.20 -0.16 0.40 6.45 1.04 -1.26 -5.18 113.70 107.79 3f4f s SER 131 Ca -0.10 -0.20 -0.04 0.00 0.48 0.00 0.00 55.95 56.09 3f4f s SER 131 Cb 0.08 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 3f4f s SER 131 CO 0.91 -0.68 0.66 -0.76 0.98 0.00 0.00 173.24 174.36 3f4f s LEU 132 N -2.23 3.85 0.21 2.42 1.43 -1.26 -5.05 118.68 118.06 3f4f s LEU 132 Ca -0.03 0.75 -0.31 0.00 -1.03 0.00 0.00 54.13 53.51 3f4f s LEU 132 Cb 0.00 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.48 3f4f s LEU 132 CO -0.05 -0.40 1.48 -0.70 0.23 0.00 0.00 176.35 176.90 3f4f s GLU 133 N -4.32 4.25 0.26 1.70 2.56 -1.26 -4.93 118.70 116.96 3f4f s GLU 133 Ca 0.45 2.30 -0.30 0.00 0.00 0.00 0.00 54.97 57.42 3f4f s GLU 133 Cb -0.10 -3.13 -0.10 0.00 2.00 0.00 0.00 34.13 32.80 3f4f s GLU 133 CO 0.38 -0.48 1.41 -2.00 -0.56 0.00 0.00 175.26 174.01 3f4f s GLU 134 N 0.21 4.29 0.27 4.30 2.12 -1.26 -5.02 118.70 123.60 3f4f s GLU 134 Ca 0.63 2.27 0.07 0.00 0.36 0.00 0.00 54.97 58.31 3f4f s GLU 134 Cb -0.42 -3.11 -0.06 0.00 0.26 0.00 0.00 34.13 30.81 3f4f s GLU 134 CO 0.39 -0.38 -0.09 -1.54 -0.54 0.00 0.00 175.26 173.10 3f4f s SER 135 N 0.23 2.80 0.17 -1.70 1.04 -1.26 -5.04 113.70 109.95 3f4f s SER 135 Ca 0.57 -1.15 -0.14 0.00 0.48 0.00 0.00 55.95 55.72 3f4f s SER 135 Cb -0.41 -0.17 0.07 0.00 0.10 0.00 0.00 66.02 65.60 3f4f s SER 135 CO 0.45 -0.28 1.82 0.00 0.98 0.00 0.00 173.24 176.20 3f4f h ALA 136 N 2.33 0.69 -0.66 5.32 0.00 -2.06 -3.00 119.26 121.87 3f4f h ALA 136 Ca -0.40 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.48 3f4f h ALA 136 Cb 1.23 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3f4f h ALA 136 CO 0.66 0.16 0.42 -0.09 0.00 0.00 0.00 179.25 180.40 3f4f h ARG 137 N 0.73 0.80 0.00 0.00 2.43 -1.96 -3.47 114.38 112.91 3f4f h ARG 137 Ca 0.20 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3f4f h ARG 137 Cb -0.03 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 3f4f h ARG 137 CO -0.04 0.53 0.00 0.41 -1.51 0.00 0.00 179.97 179.36 3f4f n GLY 138 N -1.28 3.13 0.41 2.80 0.00 -1.14 -1.72 105.19 107.39 3f4f n GLY 138 Ca 0.06 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.96 3f4f n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f4f n ALA 139 N 9.95 2.47 -2.09 4.61 0.00 -1.26 -4.89 120.51 129.30 3f4f n ALA 139 Ca 0.00 -0.39 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 3f4f n ALA 139 Cb 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 3f4f n ALA 139 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3f4f s GLY 140 N -1.01 1.24 0.01 0.00 0.00 -0.70 -4.97 107.32 101.89 3f4f s GLY 140 Ca 0.15 0.54 -0.14 0.00 0.00 0.00 0.00 44.72 45.27 3f4f s GLY 140 CO 0.10 3.03 0.29 -0.32 0.00 0.00 0.00 173.10 176.21 3f4f s GLY 141 N 4.24 -0.12 -1.46 0.20 0.00 -1.26 -4.92 107.32 104.00 3f4f s GLY 141 Ca 0.72 0.17 -0.11 0.00 0.00 0.00 0.00 44.72 45.51 3f4f s GLY 141 CO 0.29 -0.03 1.02 0.69 0.00 0.00 0.00 173.10 175.08 3f4f n PHE 142 N 1.06 -2.45 1.82 1.90 3.01 -1.26 -5.28 117.46 116.26 3f4f n PHE 142 Ca -0.21 0.94 0.15 0.00 1.01 0.00 0.00 57.45 59.34 3f4f n PHE 142 Cb 0.57 -4.35 0.87 0.00 -0.01 0.00 0.00 39.48 36.55 3f4f n PHE 142 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18